2,7-dimethyl-6-methylidenenonane

• ChemBase ID: 111193
• Molecular Formular: C12H24
• Molecular Mass: 168.31896
• Monoisotopic Mass: 168.18780077
• SMILES: CCC(C)C(=C)CCCC(C)C
• Canonical SMILES: CCC(C(=C)CCCC(C)C)C
• InChI: InChI=1S/C12H24/c1-6-11(4)12(5)9-7-8-10(2)3/h10-11H,5-9H2,1-4H3
• InChIKey: WVQSGWZKAHAJBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-6-methylidenenonane
• IUPAC Traditional name: 2,7-dimethyl-6-methylidenenonane
• Synonyms: 6-METHYL-1-HEPTENE

Database IDs

• PubChem SID: 162106474
• PubChem CID: 44135648

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9782553
• LogD (pH = 7.4): 4.9782553
• Log P: 4.9782553
• Molar Refractivity: 56.6345 cm^3
• Polarizability: 22.682592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113°C
• Density: 0.7120 g/ml

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:11
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05218116

MP Biomedicals Rare Chemical collection